[4-(5-hexylpyrimidin-2-yl)phenyl] pentaneperoxoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] pentaneperoxoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] pentaneperoxoate CAS Name: pentaneperoxoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] pentaneperoxoate Traditional Name: peroxyvaleric acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OOC(=O)CCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OOC(=O)CCCC

InChI

InChI=1S/C21H28N2O3/c1-3-5-7-8-9-17-15-22-21(23-16-17)18-11-13-19(14-12-18)25-26-20(24)10-6-4-2/h11-16H,3-10H2,1-2H3